Table 1.

FOLDX analysis of energetics: difference between thymine and cytosine in position 1 of the DNA binding sequence (energy expressed in kcal/mol)

DNA sequence	Clash DNA	Clash protein	Interaction energy	Sidechain H-bond
CGTGGGAA	11.16	37.67	−12.94	−16.75
TGTGGGAA	11.36	37.74	−10.93	−14.76